N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C17H11F2N3O3S MolecularWeight: 375.349346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C17H11F2N3O3S/c18-17(19)24-13-6-5-10(7-14(13)25-17)22-15(23)8-26-16-11-3-1-2-4-12(11)20-9-21-16/h1-7,9H,8H2,(H,22,23)